3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane

C13H19NOS — CID 62522333

IUPAC3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane
SMILESc1cc(C2CNC3(CCCCC3)CO2)cs1
InChIInChI=1S/C13H19NOS/c1-2-5-13(6-3-1)10-15-12(8-14-13)11-4-7-16-9-11/h4,7,9,12,14H,1-3,5-6,8,10H2
InChIKeySKSWWRNKDNTDCH-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.11
Rot. Bonds1

About 3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane

3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane (PubChem CID 62522333) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane
PubChem CID62522333
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane
SMILESc1cc(C2CNC3(CCCCC3)CO2)cs1
InChIInChI=1S/C13H19NOS/c1-2-5-13(6-3-1)10-15-12(8-14-13)11-4-7-16-9-11/h4,7,9,12,14H,1-3,5-6,8,10H2
InChIKeySKSWWRNKDNTDCH-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of 3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane (CID 62522333) is 3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for 3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for 3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane is c1cc(C2CNC3(CCCCC3)CO2)cs1.
What is the InChIKey of 3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane?
The InChIKey is SKSWWRNKDNTDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-5-13(6-3-1)10-15-12(8-14-13)11-4-7-16-9-11/h4,7,9,12,14H,1-3,5-6,8,10H2.
What are the key properties of 3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane?
3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane has a molecular weight of 237.37 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 62522333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).